SCHEMBL4008918

SCHEMBL4008918

N#Cc1cccnc1N1CCN(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.62
DRD2 P14416 3/20 0.50
HTR2A P28223 2/20 0.50
KDM4E B2RXH2 3/20 0.49
RECQL P46063 1/20 0.49
PANK3 Q9H999 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
DRD4 P21917 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4002344 0.86 HSD11B1 (0.61) HSD11B1KDM4EPANK3CA12CA1
SCHEMBL4010589 0.85 POLB (0.66) HSD11B1DRD2HTR2AKDM4EDRD4
SCHEMBL4006346 0.85 HSD11B1 (0.64) HSD11B1DRD2HTR2AKDM4EPANK3
SCHEMBL4009693 0.84 MEN1 (0.66) HSD11B1DRD2DRD4MALT1MEN1
SCHEMBL4010510 0.83 HSD11B1 (0.62) HSD11B1DRD2KDM4EPANK3CA12
SCHEMBL4010504 0.83 MAPK1 (0.58) HSD11B1DRD2HTR2AKDM4EDRD4
SCHEMBL4004637 0.82 DRD4 (0.66) HSD11B1DRD2HTR2AKDM4ERECQL
SCHEMBL4001787 0.82 HSD11B1 (0.58) HSD11B1PANK3CA12CA1CA2
SCHEMBL4006362 0.81 DRD4 (0.58) HSD11B1DRD2KDM4EPANK3CA12
SCHEMBL4007480 0.81 MALT1 (0.70) HSD11B1DRD2HTR2APANK3DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP claimed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US claimed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US claimed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO claimed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885DRD2 1644/4885HTR2A 1701/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885DRD2 1644/4885HTR2A 1701/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HSD11B1 804/4885DRD2 1439/4885HTR2A 1385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.